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DocumentationIdentifier: MM158506
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158506 |
| SMILES |
C=C(C#CC=O)CCC
|
| InChIKey |
VHPOEHRVVHJXCU-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8721 |
|---|---|
| Cosine metric | 0.9339 |
| Dice metric | 0.9317 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8932 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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MM358674
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| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+735 more
